Panova Maria V

Publications in Math-Net.Ru

1. Reducing false-positive rates in virtual screening via cancellation of systematic errors in the scoring function
   
   Mendeleev Commun., 32:6 (2022),  735–738
2. Modeling of novel CDK7 inhibitors activity by molecular dynamics and free energy perturbation methods
   
   Mendeleev Commun., 30:4 (2020),  430–432
3. Interplay between test sets and statistical procedures in ranking DFT methods: The case of electron density studies
   
   Mendeleev Commun., 28:3 (2018),  225–235
4. Supramolecular stereoelectronic effect in hemiketals
   
   Mendeleev Commun., 27:6 (2017),  595–598
5. Exhaustive conformational search for transition states: the case of catechol O-methyltransferase active site
   
   Mendeleev Commun., 27:3 (2017),  224–227